methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC(=O)OC

InChI

InChI=1S/C16H24N4O2S/c1-13-5-3-6-14(18-13)12-19-7-4-8-20(10-9-19)16(23)17-11-15(21)22-2/h3,5-6H,4,7-12H2,1-2H3,(H,17,23)